N-(4-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(p-tolyl)-2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methylphenyl)-2-[[4-(4-methylphenyl)-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(p-tolyl)-2-[[4-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=NC=CN=C4

InChI

InChI=1S/C22H20N6OS/c1-15-3-7-17(8-4-15)25-20(29)14-30-22-27-26-21(19-13-23-11-12-24-19)28(22)18-9-5-16(2)6-10-18/h3-13H,14H2,1-2H3,(H,25,29)